| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3856077
Max Phase: Preclinical
Molecular Formula: C24H31N5O4S
Molecular Weight: 485.61
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)Cc1nc2cc(NS(=O)(=O)N(C)C)cc(C(=O)N3CCOc4ccccc4C3)c2n1C
Standard InChI: InChI=1S/C24H31N5O4S/c1-16(2)12-22-25-20-14-18(26-34(31,32)27(3)4)13-19(23(20)28(22)5)24(30)29-10-11-33-21-9-7-6-8-17(21)15-29/h6-9,13-14,16,26H,10-12,15H2,1-5H3
Standard InChI Key: DTMZWNOHNZSJDC-UHFFFAOYSA-N
Associated Targets(Human)
Ataxin-2 54410 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 485.61 | Molecular Weight (Monoisotopic): 485.2097 | AlogP: 3.02 | #Rotatable Bonds: 6 |
| Polar Surface Area: 96.77 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.44 | CX Basic pKa: 5.54 | CX LogP: 2.10 | CX LogD: 2.09 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.58 | Np Likeness Score: -1.70 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):